≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1CCOC(C1)N2C=NC3=C(N=CN=C32)NCC4=CC=CC=C4 |
|---|---|
| IUPAC Name | N-benzyl-9-(oxan-2-yl)purin-6-amine |
| InChIKey | POFWRMVFWIJXHP-UHFFFAOYSA-N |
| INCHI | 1S/C17H19N5O/c1-2-6-13(7-3-1)10-18-16-15-17(20-11-19-16)22(12-21-15)14-8-4-5-9-23-14/h1-3,6-7,11-12,14H,4-5,8-10H2,(H,18,19,20) |
| Isomeric SMILES | C1CCOC(C1)N2C=NC3=C(N=CN=C32)NCC4=CC=CC=C4 |
| PubChem CID | 16834 |
| Molecular Weight | 309.37 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Imidazopyrimidines |
| Subclass | Purines and purine derivatives |
| Intermediate Tree Nodes | 6-aminopurines |
| Direct Parent | 6-alkylaminopurines |
| Alternative Parents | Benzylamines Secondary alkylarylamines Aminopyrimidines and derivatives Oxanes N-substituted imidazoles Imidolactams Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 6-alkylaminopurine - Benzylamine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - N-substituted imidazole - Oxane - Pyrimidine - Imidolactam - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Oxacycle - Azacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 6-alkylaminopurines. These are compounds that contain an alkylamine group attached at the 6-position of a purine. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. |
| External Descriptors | Not available |
| Molecular Weight | 309.400 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 309.159 Da |
| Monoisotopic Mass | 309.159 Da |
| Topological Polar Surface Area | 64.900 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 376.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
